Home Carboxys 3-(benzylamino)oxolane-3-carboxylic acid hydrochloride

3-(benzylamino)oxolane-3-carboxylic acid hydrochloride

CAS No.:
1803583-24-5
Catalog Number:
AG01B7YQ
Molecular Formula:
C12H16ClNO3
Molecular Weight:
257.7133
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Product Description
Catalog Number:
AG01B7YQ
Chemical Name:
3-(benzylamino)oxolane-3-carboxylic acid hydrochloride
CAS Number:
1803583-24-5
Molecular Formula:
C12H16ClNO3
Molecular Weight:
257.7133
MDL Number:
MFCD28145568
IUPAC Name:
3-(benzylamino)oxolane-3-carboxylic acid;hydrochloride
InChI:
InChI=1S/C12H15NO3.ClH/c14-11(15)12(6-7-16-9-12)13-8-10-4-2-1-3-5-10;/h1-5,13H,6-9H2,(H,14,15);1H
InChI Key:
FJLGIWLHBPXDEU-UHFFFAOYSA-N
SMILES:
OC(=O)C1(COCC1)NCc1ccccc1.Cl
Properties
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.082g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
257.714g/mol
Monoisotopic Mass:
257.082g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties